X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2FCSA.f90;h=66b98eee45202915a03d6818c9c26d54f7675709;hb=44f511c990edb035789e841e987b3382d8f241d4;hp=4b5b8f8dc6bbcf15427d300286b250713f2e3d6d;hpb=35f220f409bd5d21be33a402d79da2c23d3e0c3a;p=unres4.git diff --git a/source/unres/CSA.f90 b/source/unres/CSA.f90 index 4b5b8f8..66b98ee 100644 --- a/source/unres/CSA.f90 +++ b/source/unres/CSA.f90 @@ -206,8 +206,7 @@ indb(n,5),indb(n,4),indb(n,7),indb(n,8),indb(n,9),& chacc,iaccn,difmin,denep else - write(iout,'(i3,a3,i4,i5,a6,1pe12.4,a4,i3,i4,3i5,a5,0pf4.1,& - a5,f3.0,1x,a1,i4,0pf8.1,0pf8.1)') & + write(iout,'(i3,a3,i4,i5,a6,1pe12.4,a4,i3,i4,3i5,a5,0pf4.1,a5,f3.0,1x,a1,i4,0pf8.1,0pf8.1)') & indb(n,2),' e ',indb(n,3),indb(n,1),' etot ',etot(n),' mv ',& indb(n,5),indb(n,4),indb(n,7),indb(n,8),indb(n,9),& ' rms ',rmsn(n),' %NC ',pncn(n)*100,& @@ -1439,6 +1438,7 @@ use geometry, only: dist include 'mpif.h' +! use random, only: iran_num,ran_number ! implicit real*8 (a-h,o-z) ! include 'DIMENSIONS' ! include 'COMMON.IOUNITS' @@ -4346,6 +4346,7 @@ endif nft00_c=nft nft0i=nft + !cccccccccccccccccccccccccccccccccccccc do while (.not. finished) !cccccccccccccccccccccccccccccccccccccc